3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine

C24H22F2N4O2 — CID 162141376

IUPAC3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
SMILESNc1ncccc1OCc1cccc(F)c1F.Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C12H10F2N2O.C12H12N2O/c13-9-4-1-3-8(11(9)14)7-17-10-5-2-6-16-12(10)15;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-6H,7H2,(H2,15,16);1-8H,9H2,(H2,13,14)
InChIKeyZJYWHCJKSCWUMP-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.76
Rot. Bonds6

About 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine

3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine (PubChem CID 162141376) has the molecular formula C24H22F2N4O2 and a molecular weight of 436.46 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
PubChem CID162141376
Molecular FormulaC24H22F2N4O2
Molecular Weight436.46 g/mol
Exact Mass436.17
IUPAC Name3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
SMILESNc1ncccc1OCc1cccc(F)c1F.Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C12H10F2N2O.C12H12N2O/c13-9-4-1-3-8(11(9)14)7-17-10-5-2-6-16-12(10)15;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-6H,7H2,(H2,15,16);1-8H,9H2,(H2,13,14)
InChIKeyZJYWHCJKSCWUMP-UHFFFAOYSA-N
XLogP4.76
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161313048
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415
3-[(2,6-dichlorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine
CID 161236656
3-[(3,4-difluorophenyl)methoxy]pyridin-2-amine
CID 10331655
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
3-[(4-bromo-2-fluorophenyl)methoxy]pyridin-2-amine
CID 43438660
3-[[2-fluoro-6-(trifluoromethyl)phenyl]methoxy]pyridin-2-amine
CID 10356638
3-[2-[(2,3-difluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 60799612
3-[(2,3-difluorophenoxy)methyl]pyridine-2-carboxylic acid
CID 63097860
4-[(2,3-difluorophenoxy)methyl]pyridine
CID 141089252
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The IUPAC name of 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine (CID 162141376) is 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The canonical SMILES for 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine is Nc1ncccc1OCc1cccc(F)c1F.Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
The InChIKey is ZJYWHCJKSCWUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O.C12H12N2O/c13-9-4-1-3-8(11(9)14)7-17-10-5-2-6-16-12(10)15;13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-6H,7H2,(H2,15,16);1-8H,9H2,(H2,13,14).
What are the key properties of 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine?
3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine has a molecular weight of 436.46 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methoxy]pyridin-2-amine;3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 162141376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).